CID 11309579

Tert-butyl 2-oxopropanoate

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C7H12O3/c1-5(8)6(9)10-7(2,3)4/h1-4H3
InChIKey
YVZKICWRYOHMRD-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

144.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 128.4
[M+Na]+ 167.06786 136.1
[M-H]- 143.07136 129.3
[M+NH4]+ 162.11246 150.3
[M+K]+ 183.04180 137.2
[M+H-H2O]+ 127.07590 124.7
[M+HCOO]- 189.07684 149.7
[M+CH3COO]- 203.09249 174.9
[M+Na-2H]- 165.05331 133.6
[M]+ 144.07809 131.3
[M]- 144.07919 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe